EPW Forum

Hi Mehmet, It appears that the code stops after the calculation finished fine at 100 K and before moving to the next temperature of 150 K. As you can see in the output file, the estimated Tc is below 150, so you can first check what happens when you used smaller steps for the temperature. The code m...

Hi, You should look for the following line in subroutine write_band in PP/src/pw2wannier90.f90 IF (ionode) WRITE (iun_band,'(2i5,f18.12)') ibnd1, ikevc, et(ibnd,ik)*rytoev and replace "2i5" with "2i8" for instant. This would allow numbers up to 9999999 to be printed ok. Best, Roxana

Hi, Regarding your question for liso=.true. The Tc obtained with the isotropic calculations is in general close to the value given by the Allen-Dynes formula but almost never exactly the same. If you want to better resolve the gap close to Tc you need to take smaller steps in temperature of 0.1 K si...

Hi, You could try to run the anisotropic calculations at lower temperatures than 8 K. I see that the estimated Allen-Dynes Tc is just above 4 K. Can you also provide a plot for gap versus T from the isotropic calculations? Finally, I would recommend you use the latest version of the code. Best, Roxana

Dear Meiling,

Please in the future don't post the same message on different lists in the forum.

Best,
Roxana

Hi, One way to resolve the issue is to use a different number of imaginary points when performing the continuations from the imaginary to real axis with .Pade approximants At this point the number of points is hard coded to be 90% of the Matsubare frequency points in both the supercond_aniso.f90 sub...

Hi, If you look at the expression for nbin, eps4 or eps5 defines the number of bins. In other words, smaller the eps larger the number of bins so you will get a more spiky distribution if you don't have many k-points that have close values of the gap, i.e. delta_nk. It is pretty similar to when you ...

Hi,

Another way to get smoother curves is to decrease the number of bins. To do that you can change "eps5" to "eps4" in "SUBROUTINE gap_distribution_FS".

Best,
Roxana

Hi Sandeep, Could you be more explicit on what are the suggestions/comments you need? As Hari pointed out in his reply is that the Tc value you provide is obtained with the Allen-Dynes formula (I missed that when I looked over your first post). Allen-Dynes formula or the isotropic Migdal-Eliashberg ...

Hi,

Can you also specify what version of the code you are using?

Thanks,
Roxana